5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide

C22H23BrN2O2 — CID 3697692

IUPAC5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1CCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O2/c1-14-20(22(24)26)15(2)25(21(14)17-8-10-18(23)11-9-17)13-12-16-6-4-5-7-19(16)27-3/h4-11H,12-13H2,1-3H3,(H2,24,26)
InChIKeyIMHDUIHXYQCJMO-UHFFFAOYSA-N
MW427.34 g/mol
LogP4.88
Rot. Bonds6

About 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide

5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide (PubChem CID 3697692) has the molecular formula C22H23BrN2O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide
PubChem CID3697692
Molecular FormulaC22H23BrN2O2
Molecular Weight427.34 g/mol
Exact Mass426.09
IUPAC Name5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1CCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O2/c1-14-20(22(24)26)15(2)25(21(14)17-8-10-18(23)11-9-17)13-12-16-6-4-5-7-19(16)27-3/h4-11H,12-13H2,1-3H3,(H2,24,26)
InChIKeyIMHDUIHXYQCJMO-UHFFFAOYSA-N
XLogP4.88
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
CID 5020639
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100
methyl 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3711390
1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
CID 113219800
4-(4-tert-butylphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3740985
1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3457800
2-[[4-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106262014
4-bromo-1-[2-(2-methoxyphenyl)ethyl]pyrrole-2-carboxylic acid
CID 106262468
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3824561

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide (CID 3697692) is 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide is COc1ccccc1CCn1c(C)c(C(N)=O)c(C)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide?
The InChIKey is IMHDUIHXYQCJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O2/c1-14-20(22(24)26)15(2)25(21(14)17-8-10-18(23)11-9-17)13-12-16-6-4-5-7-19(16)27-3/h4-11H,12-13H2,1-3H3,(H2,24,26).
What are the key properties of 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide?
5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide has a molecular weight of 427.34 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3697692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).